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162257737 分子结构
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N-{[4-hydroxy-3-(2H3)methoxyphenyl]methyl}-8-methylnon-6-enamide

ChemBase编号:163602
分子式:C18H27NO3
平均质量:305.41188
单一同位素质量:305.19909373
SMILES和InChIs

SMILES:
c1(c(ccc(c1)CNC(=O)CCCCC=CC(C)C)O)OC
Canonical SMILES:
COc1cc(CNC(=O)CCCCC=CC(C)C)ccc1O
InChI:
InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)
InChIKey:
YKPUWZUDDOIDPM-UHFFFAOYSA-N

引用这个纪录

CBID:163602 http://www.chembase.cn/molecule-163602.html

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名称和登记号

名称和登记号

名称 登记号
IUPAC标准名
N-{[4-hydroxy-3-(2H3)methoxyphenyl]methyl}-8-methylnon-6-enamide
(6E)-N-{[4-hydroxy-3-(2H3)methoxyphenyl]methyl}-8-methylnon-6-enamide
(6Z)-N-{[4-hydroxy-3-(2H3)methoxyphenyl]methyl}-8-methylnon-6-enamide
IUPAC传统名
N-{[4-hydroxy-3-(2H3)methoxyphenyl]methyl}-8-methylnon-6-enamide
(6E)-N-{[4-hydroxy-3-(2H3)methoxyphenyl]methyl}-8-methylnon-6-enamide
(6Z)-N-{[4-hydroxy-3-(2H3)methoxyphenyl]methyl}-8-methylnon-6-enamide
别名
N-[(4-Hydroxy-3-(methoxy-d3)phenyl)methyl]-8-methyl-6-nonenamide
(E/Z)-8-Methyl-N-vanillyl-6-nonenamide-d3
Capsaicin-d3(E/Z-Mixture)
(6E)-N-[(4-hydroxy-3-(methoxy-d3)phenyl)methyl]-8-methyl-6-nonenamide
(E)-8-Methyl-N-vanillyl-6-nonenamide-d3
Capsaicin-d3
(E)-N-(4-Hydroxy-3-(methoxy-d3)benzyl)-8-methylnon-6-enamide
ALGRX 4975-d3
Adlea-d3
Axsain-d3
Capsaicine-d3
Capsin P 50-d3
Capzasin-HP-d3
Dolenon-d3
E-Capsaicin-d3
Mioton-d3
N-(4-Oxy-3-(methoxy-d3)benzyl)-8-methyl-6-nonenamide
NGX 4010-d3
NSC 56353-d3
Ovocap-d3
Ratden PE 40-d3
Togarashi Orenji-d3
Zostrix-d3
trans-8-Methyl-N-vanillyl-6-nonenamide-d3
trans-Capsaicin-d3
(6Z)-N-[(4-Hydroxy-3-(methoxy-d3)phenyl)methyl]-8-methyl-6-nonenamide
(Z)-8-Methyl-N-vanillyl-6-nonenamide-d3
(Z)-Capsaicin-d3
Civamide-d3
Zucapsaicin-d3
cis-Capsaicin-d3
PubChem SID
162257737
PubChem CID
57369257

数据来源

数据来源

所有数据来源 商品来源 非商品来源
数据来源 数据ID
PubChem 57369257 external link

理论计算性质

理论计算性质

JChem
Acid pKa 9.928692  质子受体
质子供体 LogD (pH = 5.5) 3.749653 
LogD (pH = 7.4) 3.7483943  Log P 3.7496696 
摩尔折射率 90.3174 cm3 极化性 34.67193 Å3
极化表面积 58.56 Å2 可自由旋转的化学键
里宾斯基五规则 true 

分子性质

分子性质

理化性质 安全信息 产品相关信息 生物活性(PubChem)
溶解度
Alcohol expand 查看数据来源
Benzene expand 查看数据来源
Chloroform expand 查看数据来源
Ether expand 查看数据来源
外观
Off-White Solid expand 查看数据来源
熔点
61-63°C expand 查看数据来源
保存条件
-20°C Freezer expand 查看数据来源
MSDS下载
下载链接 expand 查看数据来源

详细说明

详细说明

TRC TRC
Toronto Research Chemicals -  C175692 external link
Labelled Capsaicin analogue (C175680). It is used as a tool in neurobiological research. Prototype vanilloid receptor agonist. Topical analgesic.
Toronto Research Chemicals -  C175687 external link
Labelled Capsaicin analogue (C175680). It is used as a tool in neurobiological research. Prototype vanilloid receptor agonist. Topical analgesic.
Toronto Research Chemicals -  C175682 external link
A representative lot is a 5:1 E:Z mixture.Labelled Capsaicin (C175680). Has been isolated from paprika and cayenne. It is used as a tool in neurobiological research. Prototype vanilloid receptor agonist. Topical analgesic.Note this is a powerful irritant.

参考文献

参考文献

供应商提供 Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • Artursson., et al.: J. Pharma. Sci., 73, 1507 (1984)
  • Fu., et al.: Pharma. Res., 2000, 17, 100 (1984)
  • Artursson., et al.: J. Pharma. Sci., 73, 1507 (1984)
  • Fu., et al.: Pharma. Res., 17, 100 (1984)
  • Molnar, et al.: Arzneim.-Forsch., 15, 718 (1965)
  • Monsereenusorn,Y., et al.: Crit. Rev. Toxicol., 10, 321 (1965)
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专利

专利

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互联网资源

互联网资源

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